Ba1Li2Sn1
Ba1Li2Sn1 is a semiconducting ternary intermetallic compound containing barium, lithium, and tin.
About Ba1Li2Sn1
Ba1Li2Sn1 is a ternary intermetallic compound composed of barium, lithium, and tin. It exhibits semiconducting electronic characteristics, placing it in a category of materials often investigated for specialized electronic or optoelectronic potential.
Due to its position above the thermodynamic hull, this material is considered metastable. While it has been identified across multiple structural datasets, its synthesis and long-term stability remain subjects of interest for researchers studying complex metal-tin phases.
Key Properties
Cross-validated computational properties for Ba1Li2Sn1, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Ba1Li2Sn1, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.29 | 1.6066 | -1.282 | 0.30 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ba1Li2Sn1, answered from cross-validated data.
What is Ba1Li2Sn1?
Ba1Li2Sn1 is a semiconducting ternary intermetallic compound containing barium, lithium, and tin.
What is the band gap of Ba1Li2Sn1?
Is Ba1Li2Sn1 a metal, semiconductor, or insulator?
Is Ba1Li2Sn1 thermodynamically stable?
What is the crystal structure of Ba1Li2Sn1?
What is the density of Ba1Li2Sn1?
How many polymorphs of Ba1Li2Sn1 are known?
What elements does Ba1Li2Sn1 contain?
Where does the data for Ba1Li2Sn1 come from?
How It Compares
As a unique ternary phase, Ba1Li2Sn1 represents a specific point in the compositional space of barium-lithium-tin alloys. Without direct structural siblings in this specific class, it serves as a distinct case study for how alkali and alkaline earth metals influence the electronic behavior of tin-based semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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